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APOLLO-ZINC04240280

MMsINC code: MMs00056957

Type: Ionized
Formula: C₇H₅FNO₂-

SMILES:

Fc1ccc(N)cc1C(=O)[O-]

InChI:

InChI=1/C7H6FNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.0922 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 154.12 g/mol	logS: -1.63059	SlogP: -0.2286	Reactive groups: 0

Topological Properties
Globularity: 0.00368573	Sterimol/B1: 2.1225	Sterimol/B2: 2.16203	Sterimol/B3: 3.28311
Sterimol/B4: 5.15781	Sterimol/L: 10.0057

Surface and Volume Properties
Accessible surface: 306.45	Positive charged surface: 147.033	Negative charged surface: 159.417	Volume: 128.375
Hydrophobic surface: 156.965	Hydrophilic surface: 149.485

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 2	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs00056956
APOLLO-ZINC04240280